N-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide

C14H9IN2O2 — CID 6459983

IUPACN-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(I)cn1)c1cc2ccccc2o1
InChIInChI=1S/C14H9IN2O2/c15-10-5-6-13(16-8-10)17-14(18)12-7-9-3-1-2-4-11(9)19-12/h1-8H,(H,16,17,18)
InChIKeyQWKUVFLNNNSTNZ-UHFFFAOYSA-N
MW364.14 g/mol
LogP3.68
Rot. Bonds2

About N-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide

N-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide (PubChem CID 6459983) has the molecular formula C14H9IN2O2 and a molecular weight of 364.14 g/mol. Its IUPAC name is N-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide
PubChem CID6459983
Molecular FormulaC14H9IN2O2
Molecular Weight364.14 g/mol
Exact Mass363.97
IUPAC NameN-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(I)cn1)c1cc2ccccc2o1
InChIInChI=1S/C14H9IN2O2/c15-10-5-6-13(16-8-10)17-14(18)12-7-9-3-1-2-4-11(9)19-12/h1-8H,(H,16,17,18)
InChIKeyQWKUVFLNNNSTNZ-UHFFFAOYSA-N
XLogP3.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 134053222
N-(5-iodo-2-pyridinyl)naphthalene-2-carboxamide
CID 60674580
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide
CID 73051566
N-(5-iodo-2-pyridinyl)-5-methylfuran-2-carboxamide
CID 65098645
N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 10849364
N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 27148287
5-amino-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 61093527
N-(3,5-dibromopyrazin-2-yl)-1-benzofuran-2-carboxamide
CID 103756329
N-(2-methyl-1,3-thiazol-5-yl)-1-benzofuran-2-carboxamide
CID 122157547
N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide
CID 802234
N-(2-phenylphenyl)-1-benzofuran-2-carboxamide
CID 2473887

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide (CID 6459983) is N-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide is O=C(Nc1ccc(I)cn1)c1cc2ccccc2o1.
What is the InChIKey of N-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide?
The InChIKey is QWKUVFLNNNSTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9IN2O2/c15-10-5-6-13(16-8-10)17-14(18)12-7-9-3-1-2-4-11(9)19-12/h1-8H,(H,16,17,18).
What are the key properties of N-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide?
N-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide has a molecular weight of 364.14 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-2-pyridinyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 6459983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).